Research Paper | Chemistry | Iraq | Volume 6 Issue 8, August 2017
Theoretical Calculations of Vibration Modes and Electronic Properties of (1G) Dendrimers
Huda N. Al - Ani
Semi-empirical methode (PM3) was realized to estimate the (3N-6) frequencies of vibration modes and intensities of absorption in Infra-Red (IR) at equilibrium geometries, of unique architectural design of poly methyl methacrylate (1G) dendrimers (PMMA) molecule high degree of branching, multivalency. The Gaussian03 and MOPAC appraisement Packages have been performed throughout this analysis to estimate the Parameters geometrically (bond angle and bond lengths) and the physical properties, (vibration frequency, heat of formation and electronic charge distribution for the Dendrimer (PMMA) (C15H33N7O3) molecule. All the irreducible representations of vibration modes were assigned according to the group theory and character tables. Electronic Charge density at the atoms have also been calculated and presented graphically. The importance of this nano size molecule based on the extensive applications in various technological and industrial fields, is ascribed to the novel mechanical, electronicl, physical, thermal properties, optical materials, laser applications and in medical treatment like drug surrender, tumor therapy, gene movement, Medical diagnostics and chemical catalysis.
Keywords: PMMA Dendrimer, Gaussian03 program, Nanoparticle, MOPAC program
Edition: Volume 6 Issue 8, August 2017
Pages: 820 - 827
How to Cite this Article?
Huda N. Al - Ani, "Theoretical Calculations of Vibration Modes and Electronic Properties of (1G) Dendrimers", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=20061704, Volume 6 Issue 8, August 2017, 820 - 827
Enter Your Email Address and Click Download Button
Similar Articles with Keyword 'Nanoparticle'
Van der Waals Interaction between Methylene Blue functional (-SO3-) and Zinc Oxide (Zn(OH)+) in CTPP-ZnO Polyelectrolyte Membrane
Shiv Prakash Mishra
Nanobacteria ? CNPs the Possibility of Bacterial Association of the Dental Calcifications in Correlation with the Salivary Gland Stones
Synthesis, Characterization and Application of Nanoparticles of Sulfide of Zn2+, Cd2+ and Hg2+ ions by Using Biogenic and Chemical Route
C. P. Gupta, Lakshmi, N. Srivastava, S. Shukla, A. K.Yadav
Synthesis of Mn Zn Ferrites by Oxide and Wet Chemical Methods
Vikas J. Pissurlekar
Green Synthesis of Charcoal Based Silver Nanoparticles - Characterization and Inorganic Arsenic Absorption Properties
Ajay Kumar Manna